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20,21,22,23-Tetrahydro-23-oxoazadirone

PubChem CID: 52952011

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Compound Synonyms Chisocheton compound F, CHEBI:67291, CHEMBL1774404, 157376-71-1, 20,21,22,23-Tetrahydro-23-oxoazadirone, DTXSID701142921, BDBM50090908, HY-N10858, DA-72151, CS-0637256, Q27135750, (5alpha,7alpha,13alpha,17alpha,20S)-7-(acetyloxy)-4,4,8-trimethyl-3-oxocarda-1,14-dienolide, (5I+/-,7I+/-,13I+/-,17I+/-,20S)-7-(Acetyloxy)-4,4,8-trimethyl-3-oxocarda-1,14-dienolide, [(5R,7R,8R,9R,10R,13S,17S)-4,4,8,10,13-pentamethyl-3-oxo-17-[(3S)-5-oxooxolan-3-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Topological Polar Surface Area 69.7
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 975.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Uniprot Id n.a., P49841
Iupac Name [(5R,7R,8R,9R,10R,13S,17S)-4,4,8,10,13-pentamethyl-3-oxo-17-[(3S)-5-oxooxolan-3-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Prediction Hob 0.0
Target Id NPT591
Xlogp 5.0
Molecular Formula C28H38O5
Prediction Swissadme 0.0
Inchi Key LXNMRBHGHQWYSQ-PLNCUQKMSA-N
Fcsp3 0.75
Logs -4.885
Rotatable Bond Count 3.0
Logd 3.453
Compound Name 20,21,22,23-Tetrahydro-23-oxoazadirone
Prediction Hob Swissadme 0.0
Exact Mass 454.272
Formal Charge 0.0
Monoisotopic Mass 454.272
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 454.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Esol -5.623163400000001
Inchi InChI=1S/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/m1/s1
Smiles CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)[C@@H]5CC(=O)OC5)C)C
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Indica (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Acalypha Indica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Acypha Indica (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aeginetia Indica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aeschynomene Indica (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Aesculus Indica (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Agrostistachys Indica (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Alocasia Indica (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Ampelocissus Indica (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Anisomeles Indica (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Aristolochia Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Arnica Longifolia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Artanema Longifolia (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Artemisia Indica (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Asculus Indica (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Asteracantha Longifolia (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Atista Indica (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Azadirachta Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Azadirachta Patta (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Baccharis Indica (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Balanophora Indica (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Bassia Indica (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Bassia Longifolia (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Bignonia Indica (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Brickellia Longifolia (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Cadaba Indica (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Callicarpa Longifolia (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Calosanthes Indica (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Canna Indica (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Caralluma Indica (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Castanopsis Indica (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Centranthera Indica (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Cephalandra Indica (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Citrus Indica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Clausena Indica (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Coccinia Indica (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Cryptocarya Longifolia (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Cryptolepis Indica (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Cucurma Longifolia (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Dalechampia Indica (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Debregeasia Longifolia (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Derris Indica (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Dillenia Indica (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Dorstenia Indica (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Drimia Indica (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Drosera Indica (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Duchesnea Indica (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Elaeagnus Indica (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Eleusine Indica (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Erythirna Indica (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Euphorbia Indica (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Eurycoma Harmandiana (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 56. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Fagonia Indica (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Ficus Indica (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Flacourtia Indica (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Flagellaria Indica (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Fragaria Indica (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Fumaria Indica (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Hippocratea Indica (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Holigarna Longifolia (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Iphigenia Indica (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Kochia Indica (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Lactuca Indica (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Lagerstroemia Indica (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Lantana Indica (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Leea Indica (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Leucas Indica (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Limnophila Indica (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Lindenbergia Indica (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Madhuca Indica (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Madhuca Longifolia (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Madhuka Indica (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Maesa Indica (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Mammea Longifolia (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Melia Azadirachta (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Melia Indica (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Melilotus Indica (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Melothria Indica (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Michelia Longifolia (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Mimusops Indica (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Morina Longifolia (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Mycetia Longifolia (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Nymphoides Indica (Plant) Rel Props:Reference:
  • 95. Outgoing r'ship FOUND_IN to/from Pajanelia Longifolia (Plant) Rel Props:Reference:
  • 96. Outgoing r'ship FOUND_IN to/from Pavetta Indica (Plant) Rel Props:Reference:
  • 97. Outgoing r'ship FOUND_IN to/from Periploca Indica (Plant) Rel Props:Reference:
  • 98. Outgoing r'ship FOUND_IN to/from Perotis Indica (Plant) Rel Props:Reference:
  • 99. Outgoing r'ship FOUND_IN to/from Persea Indica (Plant) Rel Props:Reference:
  • 100. Outgoing r'ship FOUND_IN to/from Physalis Indica (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Physalis Longifolia (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Plantago Indica (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Pluchea Indica (Plant) Rel Props:Reference:
  • 105. Outgoing r'ship FOUND_IN to/from Plumbago Indica (Plant) Rel Props:Reference:
  • 106. Outgoing r'ship FOUND_IN to/from Polyalthia Longifolia (Plant) Rel Props:Reference:
  • 107. Outgoing r'ship FOUND_IN to/from Polygala Longifolia (Plant) Rel Props:Reference:
  • 108. Outgoing r'ship FOUND_IN to/from Polythia Longifolia (Plant) Rel Props:Reference:
  • 109. Outgoing r'ship FOUND_IN to/from Pouzolzia Indica (Plant) Rel Props:Reference:
  • 110. Outgoing r'ship FOUND_IN to/from Pristimera Indica (Plant) Rel Props:Reference:
  • 111. Outgoing r'ship FOUND_IN to/from Quassia Indica (Plant) Rel Props:Reference:
  • 112. Outgoing r'ship FOUND_IN to/from Quisqualis Indica (Plant) Rel Props:Reference:
  • 113. Outgoing r'ship FOUND_IN to/from Reinwardtia Indica (Plant) Rel Props:Reference:
  • 114. Outgoing r'ship FOUND_IN to/from Reissantia Indica (Plant) Rel Props:Reference:
  • 115. Outgoing r'ship FOUND_IN to/from Rorippa Indica (Plant) Rel Props:Reference:
  • 116. Outgoing r'ship FOUND_IN to/from Rosa Indica (Plant) Rel Props:Reference:
  • 117. Outgoing r'ship FOUND_IN to/from Rotala Indica (Plant) Rel Props:Reference:
  • 118. Outgoing r'ship FOUND_IN to/from Rothia Indica (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Sacciolepis Indica (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Samadera Indica (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Saraca Indica (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Scilla Indica (Plant) Rel Props:Reference:
  • 123. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Scutia Indica (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Shirakiopsis Indica (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Silene Indica (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Sinocrassula Indica (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Spirotropis Longifolia (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Stachytarpheta Indica (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Tamarix Indica (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Tetracera Indica (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Tylophora Indica (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Vateria Indica (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Veronica Longifolia (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Vicoa Indica (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Waltheria Indica (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Wikstroemia Indica (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Xylosma Longifolia (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Xyris Indica (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Zanonia Indica (Plant) Rel Props:Reference:
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